1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride

C15H28ClN5O3S — CID 119545803

IUPAC1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride
SMILESCNCC1CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1.Cl
InChIInChI=1S/C15H27N5O3S.ClH/c1-12-18-14(11-19(12)3)24(22,23)17-7-4-15(21)20-8-5-13(6-9-20)10-16-2;/h11,13,16-17H,4-10H2,1-3H3;1H
InChIKeyWLTBLUIIFRJQRX-UHFFFAOYSA-N
MW393.94 g/mol
LogP0.28
Rot. Bonds7

About 1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride

1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride (PubChem CID 119545803) has the molecular formula C15H28ClN5O3S and a molecular weight of 393.94 g/mol. Its IUPAC name is 1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride
PubChem CID119545803
Molecular FormulaC15H28ClN5O3S
Molecular Weight393.94 g/mol
Exact Mass393.16
IUPAC Name1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride
SMILESCNCC1CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1.Cl
InChIInChI=1S/C15H27N5O3S.ClH/c1-12-18-14(11-19(12)3)24(22,23)17-7-4-15(21)20-8-5-13(6-9-20)10-16-2;/h11,13,16-17H,4-10H2,1-3H3;1H
InChIKeyWLTBLUIIFRJQRX-UHFFFAOYSA-N
XLogP0.28
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 119647259
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide;hydrochloride
CID 119519816
(2R)-1-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370897
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 62062661
N-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 86951270
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 119543466
2,3,4,5,6-pentamethyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119542277
4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525732
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513402
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
CID 119452987
N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide
CID 119616424
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride
CID 119647156

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride (CID 119545803) is 1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride is CNCC1CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1.Cl.
What is the InChIKey of 1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride?
The InChIKey is WLTBLUIIFRJQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S.ClH/c1-12-18-14(11-19(12)3)24(22,23)17-7-4-15(21)20-8-5-13(6-9-20)10-16-2;/h11,13,16-17H,4-10H2,1-3H3;1H.
What are the key properties of 1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride?
1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]imidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119545803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).